1-(3-fluorophenyl)-4-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione

C19H14FNO3 — CID 4901500

IUPAC1-(3-fluorophenyl)-4-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESO=C1OCC2=C1C(c1ccccc1)CC(=O)N2c1cccc(F)c1
InChIInChI=1S/C19H14FNO3/c20-13-7-4-8-14(9-13)21-16-11-24-19(23)18(16)15(10-17(21)22)12-5-2-1-3-6-12/h1-9,15H,10-11H2
InChIKeyBKVTYQKEXWXOPB-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.16
Rot. Bonds2

About 1-(3-fluorophenyl)-4-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione

1-(3-fluorophenyl)-4-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 4901500) has the molecular formula C19H14FNO3 and a molecular weight of 323.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
PubChem CID4901500
Molecular FormulaC19H14FNO3
Molecular Weight323.32 g/mol
Exact Mass323.10
IUPAC Name1-(3-fluorophenyl)-4-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESO=C1OCC2=C1C(c1ccccc1)CC(=O)N2c1cccc(F)c1
InChIInChI=1S/C19H14FNO3/c20-13-7-4-8-14(9-13)21-16-11-24-19(23)18(16)15(10-17(21)22)12-5-2-1-3-6-12/h1-9,15H,10-11H2
InChIKeyBKVTYQKEXWXOPB-UHFFFAOYSA-N
XLogP3.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of 1-(3-fluorophenyl)-4-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (CID 4901500) is 1-(3-fluorophenyl)-4-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for 1-(3-fluorophenyl)-4-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for 1-(3-fluorophenyl)-4-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is O=C1OCC2=C1C(c1ccccc1)CC(=O)N2c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-4-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is BKVTYQKEXWXOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3/c20-13-7-4-8-14(9-13)21-16-11-24-19(23)18(16)15(10-17(21)22)12-5-2-1-3-6-12/h1-9,15H,10-11H2.
What are the key properties of 1-(3-fluorophenyl)-4-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
1-(3-fluorophenyl)-4-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 323.32 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 4901500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).